The Matter Simulation (R)evolution

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The Matter Simulation (R)evolution

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Title: The Matter Simulation (R)evolution
Author: Aspuru-Guzik, Alan; Lindh, Roland; Reiher, Markus

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Citation: Aspuru-Guzik, Alán, Roland Lindh, and Markus Reiher. 2018. “The Matter Simulation (R)evolution.” ACS Central Science 4 (2) (February 6): 144–152. doi:10.1021/acscentsci.7b00550.
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Abstract: To date, the program for the development of methods and models for atomistic and continuum simulation directed toward chemicals and materials has reached an incredible degree of sophistication and maturity. Currently, one can witness an increasingly rapid emergence of advances in computing, artificial intelligence, and robotics. This drives us to consider the future of computer simulation of matter from the molecular to the human length and time scales in a radical way that deliberately dares to go beyond the foreseeable next steps in any given discipline. This perspective article presents a view on this future development that we believe is likely to become a reality during our lifetime.
Published Version: doi:10.1021/acscentsci.7b00550
Terms of Use: This article is made available under the terms and conditions applicable to Other Posted Material, as set forth at
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